# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb41274 # _entry.id spkb41274 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n THR 2 1 n PHE 3 1 n ARG 4 1 n PHE 5 1 n LEU 6 1 n CYS 7 1 n TRP 8 1 n LEU 9 1 n THR 10 1 n GLY 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n CYS 15 1 n THR 16 1 n ALA 17 1 n ALA 18 1 n TYR 19 1 n ALA 20 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-06 08:34:09)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 85.36 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 71.90 1 1 A THR 2 2 82.67 1 2 A PHE 3 2 78.15 1 3 A ARG 4 2 75.22 1 4 A PHE 5 2 85.75 1 5 A LEU 6 2 86.51 1 6 A CYS 7 2 89.68 1 7 A TRP 8 2 81.30 1 8 A LEU 9 2 91.07 1 9 A THR 10 2 90.85 1 10 A GLY 11 2 93.77 1 11 A LEU 12 2 92.09 1 12 A LEU 13 2 91.95 1 13 A LEU 14 2 91.33 1 14 A CYS 15 2 91.73 1 15 A THR 16 2 88.18 1 16 A ALA 17 2 92.25 1 17 A ALA 18 2 91.76 1 18 A TYR 19 2 82.59 1 19 A ALA 20 2 80.59 1 20 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n THR . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n CYS . 7 A 7 A 8 1 n TRP . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n TYR . 19 A 19 A 20 1 n ALA . 20 A 20 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -3.655 -0.666 -15.967 1.00 74.39 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.993 -0.012 -14.818 1.00 78.33 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.819 -1.018 -13.680 1.00 80.87 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.671 -1.131 -12.810 1.00 77.05 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.840 1.157 -14.339 1.00 72.60 1 A 1 ATOM 6 C CG . MET A 1 1 ? -3.869 2.259 -15.380 1.00 68.92 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.941 3.605 -14.892 1.00 65.29 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.601 4.745 -16.225 1.00 57.74 1 A 1 ATOM 9 N N . THR A 1 2 ? -1.726 -1.739 -13.740 1.00 84.23 2 A 1 ATOM 10 C CA . THR A 1 2 ? -1.455 -2.771 -12.734 1.00 86.37 2 A 1 ATOM 11 C C . THR A 1 2 ? -0.638 -2.215 -11.571 1.00 87.92 2 A 1 ATOM 12 O O . THR A 1 2 ? -0.657 -2.766 -10.474 1.00 84.60 2 A 1 ATOM 13 C CB . THR A 1 2 ? -0.697 -3.926 -13.391 1.00 83.78 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -1.223 -4.158 -14.687 1.00 76.74 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -0.830 -5.191 -12.571 1.00 75.08 2 A 1 ATOM 16 N N . PHE A 1 3 ? 0.070 -1.123 -11.822 1.00 83.28 3 A 1 ATOM 17 C CA . PHE A 1 3 ? 0.900 -0.519 -10.778 1.00 83.83 3 A 1 ATOM 18 C C . PHE A 1 3 ? 0.043 0.022 -9.639 1.00 87.42 3 A 1 ATOM 19 O O . PHE A 1 3 ? 0.531 0.242 -8.534 1.00 84.66 3 A 1 ATOM 20 C CB . PHE A 1 3 ? 1.748 0.595 -11.380 1.00 81.59 3 A 1 ATOM 21 C CG . PHE A 1 3 ? 3.149 0.125 -11.645 1.00 77.31 3 A 1 ATOM 22 C CD1 . PHE A 1 3 ? 4.097 0.155 -10.634 1.00 75.36 3 A 1 ATOM 23 C CD2 . PHE A 1 3 ? 3.513 -0.360 -12.893 1.00 73.65 3 A 1 ATOM 24 C CE1 . PHE A 1 3 ? 5.387 -0.288 -10.870 1.00 70.81 3 A 1 ATOM 25 C CE2 . PHE A 1 3 ? 4.802 -0.804 -13.134 1.00 71.06 3 A 1 ATOM 26 C CZ . PHE A 1 3 ? 5.744 -0.765 -12.121 1.00 70.63 3 A 1 ATOM 27 N N . ARG A 1 4 ? -1.217 0.217 -9.922 1.00 82.82 4 A 1 ATOM 28 C CA . ARG A 1 4 ? -2.145 0.677 -8.882 1.00 85.79 4 A 1 ATOM 29 C C . ARG A 1 4 ? -2.159 -0.326 -7.730 1.00 88.49 4 A 1 ATOM 30 O O . ARG A 1 4 ? -2.305 0.039 -6.569 1.00 87.73 4 A 1 ATOM 31 C CB . ARG A 1 4 ? -3.541 0.813 -9.482 1.00 82.34 4 A 1 ATOM 32 C CG . ARG A 1 4 ? -4.458 1.569 -8.552 1.00 74.92 4 A 1 ATOM 33 C CD . ARG A 1 4 ? -5.859 1.608 -9.136 1.00 74.87 4 A 1 ATOM 34 N NE . ARG A 1 4 ? -6.365 0.233 -9.277 1.00 67.65 4 A 1 ATOM 35 C CZ . ARG A 1 4 ? -7.566 -0.061 -9.754 1.00 64.76 4 A 1 ATOM 36 N NH1 . ARG A 1 4 ? -8.404 0.887 -10.119 1.00 59.09 4 A 1 ATOM 37 N NH2 . ARG A 1 4 ? -7.919 -1.326 -9.864 1.00 59.00 4 A 1 ATOM 38 N N . PHE A 1 5 ? -1.983 -1.589 -8.069 1.00 86.63 5 A 1 ATOM 39 C CA . PHE A 1 5 ? -1.932 -2.653 -7.071 1.00 88.60 5 A 1 ATOM 40 C C . PHE A 1 5 ? -0.714 -2.467 -6.166 1.00 91.45 5 A 1 ATOM 41 O O . PHE A 1 5 ? -0.796 -2.667 -4.954 1.00 90.65 5 A 1 ATOM 42 C CB . PHE A 1 5 ? -1.859 -3.997 -7.790 1.00 89.26 5 A 1 ATOM 43 C CG . PHE A 1 5 ? -1.689 -5.136 -6.830 1.00 85.68 5 A 1 ATOM 44 C CD1 . PHE A 1 5 ? -2.758 -5.573 -6.063 1.00 82.87 5 A 1 ATOM 45 C CD2 . PHE A 1 5 ? -0.460 -5.768 -6.699 1.00 82.92 5 A 1 ATOM 46 C CE1 . PHE A 1 5 ? -2.597 -6.626 -5.176 1.00 81.69 5 A 1 ATOM 47 C CE2 . PHE A 1 5 ? -0.295 -6.820 -5.811 1.00 81.55 5 A 1 ATOM 48 C CZ . PHE A 1 5 ? -1.366 -7.252 -5.047 1.00 81.94 5 A 1 ATOM 49 N N . LEU A 1 6 ? 0.397 -2.079 -6.767 1.00 88.64 6 A 1 ATOM 50 C CA . LEU A 1 6 ? 1.617 -1.840 -5.992 1.00 89.55 6 A 1 ATOM 51 C C . LEU A 1 6 ? 1.413 -0.669 -5.042 1.00 91.84 6 A 1 ATOM 52 O O . LEU A 1 6 ? 1.849 -0.703 -3.896 1.00 91.38 6 A 1 ATOM 53 C CB . LEU A 1 6 ? 2.781 -1.563 -6.944 1.00 89.98 6 A 1 ATOM 54 C CG . LEU A 1 6 ? 3.583 -2.822 -7.264 1.00 82.78 6 A 1 ATOM 55 C CD1 . LEU A 1 6 ? 4.632 -2.513 -8.319 1.00 79.12 6 A 1 ATOM 56 C CD2 . LEU A 1 6 ? 4.261 -3.345 -6.003 1.00 78.77 6 A 1 ATOM 57 N N . CYS A 1 7 ? 0.755 0.348 -5.522 1.00 91.58 7 A 1 ATOM 58 C CA . CYS A 1 7 ? 0.454 1.520 -4.697 1.00 91.09 7 A 1 ATOM 59 C C . CYS A 1 7 ? -0.387 1.096 -3.496 1.00 92.01 7 A 1 ATOM 60 O O . CYS A 1 7 ? -0.160 1.541 -2.371 1.00 89.71 7 A 1 ATOM 61 C CB . CYS A 1 7 ? -0.295 2.552 -5.531 1.00 88.37 7 A 1 ATOM 62 S SG . CYS A 1 7 ? -0.327 4.154 -4.711 1.00 85.31 7 A 1 ATOM 63 N N . TRP A 1 8 ? -1.327 0.225 -3.765 1.00 87.11 8 A 1 ATOM 64 C CA . TRP A 1 8 ? -2.191 -0.290 -2.702 1.00 88.01 8 A 1 ATOM 65 C C . TRP A 1 8 ? -1.364 -1.090 -1.693 1.00 90.74 8 A 1 ATOM 66 O O . TRP A 1 8 ? -1.514 -0.911 -0.480 1.00 88.62 8 A 1 ATOM 67 C CB . TRP A 1 8 ? -3.273 -1.169 -3.322 1.00 87.52 8 A 1 ATOM 68 C CG . TRP A 1 8 ? -3.906 -2.075 -2.326 1.00 82.95 8 A 1 ATOM 69 C CD1 . TRP A 1 8 ? -4.836 -1.732 -1.408 1.00 78.39 8 A 1 ATOM 70 C CD2 . TRP A 1 8 ? -3.637 -3.483 -2.127 1.00 83.07 8 A 1 ATOM 71 N NE1 . TRP A 1 8 ? -5.164 -2.831 -0.652 1.00 75.53 8 A 1 ATOM 72 C CE2 . TRP A 1 8 ? -4.450 -3.914 -1.068 1.00 81.34 8 A 1 ATOM 73 C CE3 . TRP A 1 8 ? -2.792 -4.394 -2.748 1.00 76.47 8 A 1 ATOM 74 C CZ2 . TRP A 1 8 ? -4.418 -5.243 -0.623 1.00 77.41 8 A 1 ATOM 75 C CZ3 . TRP A 1 8 ? -2.766 -5.719 -2.307 1.00 70.49 8 A 1 ATOM 76 C CH2 . TRP A 1 8 ? -3.572 -6.126 -1.251 1.00 70.56 8 A 1 ATOM 77 N N . LEU A 1 9 ? -0.515 -1.951 -2.192 1.00 92.89 9 A 1 ATOM 78 C CA . LEU A 1 9 ? 0.328 -2.774 -1.326 1.00 93.66 9 A 1 ATOM 79 C C . LEU A 1 9 ? 1.250 -1.905 -0.484 1.00 95.03 9 A 1 ATOM 80 O O . LEU A 1 9 ? 1.367 -2.093 0.726 1.00 95.00 9 A 1 ATOM 81 C CB . LEU A 1 9 ? 1.150 -3.739 -2.181 1.00 93.71 9 A 1 ATOM 82 C CG . LEU A 1 9 ? 0.737 -5.200 -2.010 1.00 88.83 9 A 1 ATOM 83 C CD1 . LEU A 1 9 ? 1.647 -6.097 -2.833 1.00 85.19 9 A 1 ATOM 84 C CD2 . LEU A 1 9 ? 0.796 -5.608 -0.543 1.00 84.28 9 A 1 ATOM 85 N N . THR A 1 10 ? 1.907 -0.963 -1.128 1.00 93.72 10 A 1 ATOM 86 C CA . THR A 1 10 ? 2.834 -0.071 -0.428 1.00 93.38 10 A 1 ATOM 87 C C . THR A 1 10 ? 2.088 0.762 0.605 1.00 94.26 10 A 1 ATOM 88 O O . THR A 1 10 ? 2.535 0.901 1.743 1.00 92.23 10 A 1 ATOM 89 C CB . THR A 1 10 ? 3.532 0.840 -1.436 1.00 91.82 10 A 1 ATOM 90 O OG1 . THR A 1 10 ? 4.135 0.039 -2.448 1.00 85.95 10 A 1 ATOM 91 C CG2 . THR A 1 10 ? 4.627 1.645 -0.759 1.00 84.60 10 A 1 ATOM 92 N N . GLY A 1 11 ? 0.969 1.305 0.210 1.00 93.45 11 A 1 ATOM 93 C CA . GLY A 1 11 ? 0.168 2.108 1.130 1.00 93.33 11 A 1 ATOM 94 C C . GLY A 1 11 ? -0.325 1.281 2.298 1.00 94.92 11 A 1 ATOM 95 O O . GLY A 1 11 ? -0.284 1.723 3.446 1.00 93.38 11 A 1 ATOM 96 N N . LEU A 1 12 ? -0.764 0.079 2.003 1.00 93.88 12 A 1 ATOM 97 C CA . LEU A 1 12 ? -1.247 -0.831 3.037 1.00 94.37 12 A 1 ATOM 98 C C . LEU A 1 12 ? -0.120 -1.195 3.992 1.00 95.62 12 A 1 ATOM 99 O O . LEU A 1 12 ? -0.307 -1.198 5.208 1.00 94.70 12 A 1 ATOM 100 C CB . LEU A 1 12 ? -1.801 -2.094 2.383 1.00 94.06 12 A 1 ATOM 101 C CG . LEU A 1 12 ? -2.640 -2.922 3.341 1.00 91.23 12 A 1 ATOM 102 C CD1 . LEU A 1 12 ? -4.047 -2.353 3.414 1.00 86.83 12 A 1 ATOM 103 C CD2 . LEU A 1 12 ? -2.674 -4.364 2.891 1.00 86.02 12 A 1 ATOM 104 N N . LEU A 1 13 ? 1.037 -1.491 3.443 1.00 93.12 13 A 1 ATOM 105 C CA . LEU A 1 13 ? 2.198 -1.850 4.255 1.00 93.39 13 A 1 ATOM 106 C C . LEU A 1 13 ? 2.588 -0.700 5.174 1.00 94.83 13 A 1 ATOM 107 O O . LEU A 1 13 ? 2.807 -0.895 6.368 1.00 94.31 13 A 1 ATOM 108 C CB . LEU A 1 13 ? 3.371 -2.204 3.341 1.00 93.41 13 A 1 ATOM 109 C CG . LEU A 1 13 ? 4.490 -2.916 4.090 1.00 91.19 13 A 1 ATOM 110 C CD1 . LEU A 1 13 ? 4.177 -4.399 4.218 1.00 88.14 13 A 1 ATOM 111 C CD2 . LEU A 1 13 ? 5.808 -2.721 3.369 1.00 87.25 13 A 1 ATOM 112 N N . LEU A 1 14 ? 2.671 0.492 4.622 1.00 93.05 14 A 1 ATOM 113 C CA . LEU A 1 14 ? 3.046 1.664 5.409 1.00 93.17 14 A 1 ATOM 114 C C . LEU A 1 14 ? 1.988 1.971 6.457 1.00 94.34 14 A 1 ATOM 115 O O . LEU A 1 14 ? 2.313 2.251 7.610 1.00 92.93 14 A 1 ATOM 116 C CB . LEU A 1 14 ? 3.235 2.855 4.478 1.00 92.97 14 A 1 ATOM 117 C CG . LEU A 1 14 ? 4.485 2.736 3.612 1.00 90.41 14 A 1 ATOM 118 C CD1 . LEU A 1 14 ? 4.510 3.856 2.589 1.00 87.35 14 A 1 ATOM 119 C CD2 . LEU A 1 14 ? 5.732 2.799 4.483 1.00 86.45 14 A 1 ATOM 120 N N . CYS A 1 15 ? 0.747 1.897 6.061 1.00 93.18 15 A 1 ATOM 121 C CA . CYS A 1 15 ? -0.347 2.156 6.989 1.00 93.02 15 A 1 ATOM 122 C C . CYS A 1 15 ? -0.363 1.104 8.092 1.00 93.64 15 A 1 ATOM 123 O O . CYS A 1 15 ? -0.538 1.426 9.264 1.00 91.71 15 A 1 ATOM 124 C CB . CYS A 1 15 ? -1.676 2.154 6.240 1.00 91.76 15 A 1 ATOM 125 S SG . CYS A 1 15 ? -2.243 3.829 5.899 1.00 87.06 15 A 1 ATOM 126 N N . THR A 1 16 ? -0.160 -0.133 7.705 1.00 90.06 16 A 1 ATOM 127 C CA . THR A 1 16 ? -0.144 -1.230 8.677 1.00 89.98 16 A 1 ATOM 128 C C . THR A 1 16 ? 1.041 -1.082 9.621 1.00 90.88 16 A 1 ATOM 129 O O . THR A 1 16 ? 0.908 -1.296 10.827 1.00 89.65 16 A 1 ATOM 130 C CB . THR A 1 16 ? -0.059 -2.570 7.947 1.00 89.37 16 A 1 ATOM 131 O OG1 . THR A 1 16 ? -1.133 -2.650 7.019 1.00 84.46 16 A 1 ATOM 132 C CG2 . THR A 1 16 ? -0.183 -3.725 8.921 1.00 82.87 16 A 1 ATOM 133 N N . ALA A 1 17 ? 2.194 -0.719 9.077 1.00 92.45 17 A 1 ATOM 134 C CA . ALA A 1 17 ? 3.391 -0.529 9.896 1.00 92.28 17 A 1 ATOM 135 C C . ALA A 1 17 ? 3.171 0.598 10.896 1.00 93.20 17 A 1 ATOM 136 O O . ALA A 1 17 ? 3.538 0.482 12.063 1.00 91.79 17 A 1 ATOM 137 C CB . ALA A 1 17 ? 4.583 -0.222 9.002 1.00 91.51 17 A 1 ATOM 138 N N . ALA A 1 18 ? 2.585 1.684 10.439 1.00 92.86 18 A 1 ATOM 139 C CA . ALA A 1 18 ? 2.301 2.818 11.317 1.00 91.79 18 A 1 ATOM 140 C C . ALA A 1 18 ? 1.204 2.462 12.312 1.00 92.32 18 A 1 ATOM 141 O O . ALA A 1 18 ? 1.231 2.899 13.460 1.00 90.42 18 A 1 ATOM 142 C CB . ALA A 1 18 ? 1.893 4.020 10.484 1.00 91.39 18 A 1 ATOM 143 N N . TYR A 1 19 ? 0.255 1.672 11.850 1.00 89.96 19 A 1 ATOM 144 C CA . TYR A 1 19 ? -0.844 1.227 12.705 1.00 87.12 19 A 1 ATOM 145 C C . TYR A 1 19 ? -0.317 0.358 13.839 1.00 87.78 19 A 1 ATOM 146 O O . TYR A 1 19 ? -0.828 0.406 14.960 1.00 84.92 19 A 1 ATOM 147 C CB . TYR A 1 19 ? -1.836 0.442 11.853 1.00 86.15 19 A 1 ATOM 148 C CG . TYR A 1 19 ? -3.131 0.206 12.570 1.00 82.14 19 A 1 ATOM 149 C CD1 . TYR A 1 19 ? -4.010 1.257 12.807 1.00 79.51 19 A 1 ATOM 150 C CD2 . TYR A 1 19 ? -3.474 -1.067 12.999 1.00 79.61 19 A 1 ATOM 151 C CE1 . TYR A 1 19 ? -5.205 1.035 13.463 1.00 77.33 19 A 1 ATOM 152 C CE2 . TYR A 1 19 ? -4.670 -1.294 13.660 1.00 78.35 19 A 1 ATOM 153 C CZ . TYR A 1 19 ? -5.531 -0.240 13.888 1.00 79.37 19 A 1 ATOM 154 O OH . TYR A 1 19 ? -6.709 -0.462 14.543 1.00 78.86 19 A 1 ATOM 155 N N . ALA A 1 20 ? 0.723 -0.439 13.523 1.00 88.97 20 A 1 ATOM 156 C CA . ALA A 1 20 ? 1.345 -1.328 14.506 1.00 85.40 20 A 1 ATOM 157 C C . ALA A 1 20 ? 0.337 -2.342 15.068 1.00 82.25 20 A 1 ATOM 158 O O . ALA A 1 20 ? -0.699 -2.587 14.427 1.00 76.04 20 A 1 ATOM 159 C CB . ALA A 1 20 ? 1.956 -0.488 15.635 1.00 79.46 20 A 1 ATOM 160 O OXT . ALA A 1 20 ? 0.588 -2.911 16.137 1.00 71.41 20 A 1 #